UCSF

ZINC78794125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2012 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 12.24 -36.43 1 2 1 22 272.412 7
Hi High (pH 8-9.5) 4.05 9.83 -5.18 0 2 0 20 271.404 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )